@<TRIPOS>MOLECULE
BindingDB_50148298
 49 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        12.4715   65.0692   77.0527  C     
2    O        11.8177   66.0677   76.4099  O     
3    C        10.9428   67.0732   76.9257  C     
4    N        13.2451   64.1608   76.4191  N     
5    O        12.3595   64.9412   78.3896  O     
6    C         9.4987   66.7624   76.4255  C     
7    O        12.7191   64.5213   72.8518  O     
8    C        11.4835   68.4850   76.4992  C     
9    C        12.6760   64.7203   74.0616  C     
10   C         9.0047   65.4205   76.8396  C     
11   C        13.5036   63.9847   75.0108  C     
12   C        10.6027   69.6539   77.0084  C     
13   C        12.9511   68.7016   76.9842  C     
14   C         8.7855   64.3859   75.8958  C     
15   C         8.6943   65.1733   78.1971  C     
16   C        13.5469   62.4436   74.7245  C     
17   C        11.7680   60.5523   74.3962  C     
18   C        12.3626   61.6403   75.3494  C     
19   C        10.4638   60.9764   73.6925  C     
20   C         8.2003   63.9249   78.6078  C     
21   C         8.2893   63.1339   76.3076  C     
22   C         8.0008   62.9026   77.6626  C     
23   H        10.9302   67.0473   78.0184  H     
24   H        13.6891   63.5276   77.0089  H     
25   H         8.7853   67.4977   76.8027  H     
26   H         9.4810   66.8564   75.3350  H     
27   H        11.4984   68.5283   75.4082  H     
28   H        11.9371   65.2794   74.3766  H     
29   H        14.5123   64.3606   74.8409  H     
30   H         9.6138   69.6293   76.5399  H     
31   H        11.0489   70.6199   76.7632  H     
32   H        10.4734   69.5949   78.0923  H     
33   H        12.9978   68.6391   78.0757  H     
34   H        13.3229   69.6789   76.6744  H     
35   H        13.6142   67.9432   76.5646  H     
36   H         8.9938   64.5319   74.9090  H     
37   H         8.8363   65.9010   78.8989  H     
38   H        13.5794   62.2841   73.6443  H     
39   H        14.4882   62.0373   75.1167  H     
40   H        12.5165   60.2770   73.6418  H     
41   H        11.5480   59.6517   74.9765  H     
42   H        12.7231   61.1404   76.2509  H     
43   H        11.5591   62.3131   75.6619  H     
44   H         9.6735   61.1421   74.4239  H     
45   H        10.1388   60.1912   73.0092  H     
46   H        10.6178   61.8978   73.1223  H     
47   H         7.9715   63.7586   79.5882  H     
48   H         8.1171   62.4012   75.6149  H     
49   H         7.6364   61.9933   77.9557  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 am
     3    1    5 2
     4    2    3 1
     5    3    6 1
     6    3    8 1
     7    4   11 1
     8    6   10 1
     9    7    9 2
    10    8   12 1
    11    8   13 1
    12    9   11 1
    13   10   14 1
    14   10   15 2
    15   11   16 1
    16   14   21 2
    17   15   20 1
    18   16   18 1
    19   17   18 1
    20   17   19 1
    21   20   22 2
    22   21   22 1
    23    3   23 1
    24    4   24 1
    25    6   25 1
    26    6   26 1
    27    8   27 1
    28    9   28 1
    29   11   29 1
    30   12   30 1
    31   12   31 1
    32   12   32 1
    33   13   33 1
    34   13   34 1
    35   13   35 1
    36   14   36 1
    37   15   37 1
    38   16   38 1
    39   16   39 1
    40   17   40 1
    41   17   41 1
    42   18   42 1
    43   18   43 1
    44   19   44 1
    45   19   45 1
    46   19   46 1
    47   20   47 1
    48   21   48 1
    49   22   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.2746
  Crash		| -1.1036
  Polar		| 0.4119
  FragIndex	| 1
  FragRMSD	| 1.336